Detailed information for compound 207070

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.206 | Formula: C18H11Cl2N3
  • H donors: 1 H acceptors: 2 LogP: 4.86 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)c1c[nH]c(n1)c1ncc2c(c1)cccc2
  • InChi: 1S/C18H11Cl2N3/c19-14-6-5-12(7-15(14)20)17-10-22-18(23-17)16-8-11-3-1-2-4-13(11)9-21-16/h1-10H,(H,22,23)
  • InChiKey: FWGUHPYSEBGSIU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide Y receptor Y5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis slit 2 protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus multilocularis neurogenic locus protein delta 0.0179 0.2453 0.2453
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0133 0.1526 0.2344
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus carbonic anhydrase II 0.0154 0.1945 0.1945
Brugia malayi Calcium binding EGF domain containing protein 0.0179 0.2453 0.2453
Brugia malayi Animal haem peroxidase family protein 0.0555 1 1
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus protein jagged 2 0.0179 0.2453 0.2453
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus notch 0.0179 0.2453 0.2453
Brugia malayi follicle stimulating hormone receptor 0.0241 0.3696 0.3696
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus peroxidasin 0.0555 1 1
Schistosoma mansoni cell polarity protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Brugia malayi Muscle positioning protein 4 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Schistosoma mansoni peroxidasin 0.0555 1 1
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus slit 2 protein 0.0179 0.2453 0.2453
Brugia malayi notch-like transmembrane receptor 0.0179 0.2453 0.2453
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Onchocerca volvulus Peroxidasin homolog 0.0555 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0889 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus multilocularis neurogenic locus notch protein 4 0.0179 0.2453 0.2453
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0154 0.1945 0.1945
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Schistosoma mansoni septate junction protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) carbonic anhydrase 3 0.0154 0.1945 0.1945
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus neurogenic locus notch protein 4 0.0179 0.2453 0.2453
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0154 0.1945 0.5
Brugia malayi Animal haem peroxidase family protein 0.0555 1 1
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0179 0.2453 0.2453
Loa Loa (eye worm) animal heme peroxidase 0.0555 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus multilocularis neurogenic locus notch protein 0.0179 0.2453 0.2453
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0154 0.1945 0.5
Loa Loa (eye worm) Notch2 0.0179 0.2453 0.2453
Mycobacterium ulcerans carbonic anhydrase 0.0235 0.3563 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Brugia malayi Peroxidasin 0.0555 1 1
Plasmodium falciparum carbonic anhydrase 0.0057 0 0.5
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0179 0.2453 0.2453
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0154 0.1945 0.1945
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0154 0.1945 0.1945
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus granulosus protein jagged 1 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0179 0.2453 0.2453
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0889 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Trypanosoma brucei carbonic anhydrase-like protein 0.0154 0.1945 0.5
Echinococcus multilocularis neurogenic locus protein delta 0.0179 0.2453 0.2453
Toxoplasma gondii subtilisin SUB9 0.0303 0.4938 1
Brugia malayi Calcium binding EGF domain containing protein 0.0179 0.2453 0.2453
Brugia malayi Animal haem peroxidase family protein 0.0555 1 1
Onchocerca volvulus Peroxidase homolog 0.0555 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0154 0.1945 0.1945
Onchocerca volvulus Chorion peroxidase homolog 0.0555 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.3696 0.3696
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Onchocerca volvulus Peroxidase homolog 0.0555 1 1
Onchocerca volvulus 0.0555 1 1
Echinococcus multilocularis protein jagged 1 0.0179 0.2453 0.2453
Leishmania major carbonic anhydrase family protein, putative 0.0235 0.3563 1
Onchocerca volvulus 0.0555 1 1
Schistosoma mansoni carbonic anhydrase 0.0235 0.3563 0.3563
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Brugia malayi Delta serrate ligand family protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0154 0.1945 0.1945
Giardia lamblia High cysteine protein 0.0179 0.2453 0.5
Echinococcus granulosus delta-like protein 1 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Brugia malayi Blistered cuticle protein 3 0.0555 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0179 0.2453 0.4968
Brugia malayi Calcium binding EGF domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus fibropellin Ia 0.0179 0.2453 0.2453
Echinococcus multilocularis notch 0.0179 0.2453 0.2453
Echinococcus multilocularis neural cadherin 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus granulosus protein jagged 2 0.0179 0.2453 0.2453
Echinococcus multilocularis neurogenic locus notch protein 0.0179 0.2453 0.2453
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.3605 1
Echinococcus granulosus neurogenic locus notch protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus multilocularis fibropellin Ia 0.0179 0.2453 0.2453
Loa Loa (eye worm) notch protein 0.0179 0.2453 0.2453
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0179 0.2453 0.2453
Brugia malayi Animal haem peroxidase family protein 0.0555 1 1
Onchocerca volvulus Dual oxidase homolog 0.0555 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0555 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0235 0.3563 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus multilocularis protein jagged 1 0.0179 0.2453 0.2453
Schistosoma mansoni peroxidasin 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Schistosoma mansoni slit 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Brugia malayi Animal haem peroxidase family protein 0.0555 1 1
Entamoeba histolytica carbonic anhydrase, putative 0.0235 0.3563 0.5
Echinococcus multilocularis protein jagged 2 0.0179 0.2453 0.2453
Loa Loa (eye worm) animal heme peroxidase 0.0555 1 1
Brugia malayi EGF-like domain containing protein 0.0179 0.2453 0.2453
Echinococcus granulosus neural cadherin 0.0179 0.2453 0.2453
Loa Loa (eye worm) animal heme peroxidase 0.0555 1 1
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Brugia malayi Cadherin domain containing protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Schistosoma mansoni notch 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Brugia malayi Cadherin domain containing protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Echinococcus multilocularis peroxidasin 0.0555 1 1
Onchocerca volvulus 0.0555 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0154 0.1945 0.1945
Loa Loa (eye worm) animal heme peroxidase 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus protein jagged 1 0.0179 0.2453 0.2453
Brugia malayi GCC2 and GCC3 family protein 0.0179 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0179 0.2453 0.2453
Onchocerca volvulus Peroxidasin homolog 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0179 0.2453 0.2453

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4769 nM Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells ChEMBL. 14505677
Ki (binding) = 4769 nM Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells ChEMBL. 14505677

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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